SCHEMBL5490159

SCHEMBL5490159

CN(c1ccc(NC(=O)c2cc(Nc3cc(F)cc(N4CCOCC4)c3)cnc2C(F)(F)F)cn1)C1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
MAPK14 Q16539 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
DGAT1 O75907 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.36
TNK2 Q07912 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4551789 0.86 PDE4B (0.37) PDE4BMAPK14LCKKDRTEK
SCHEMBL4551561 0.86 RAB9A (0.38) PDE4BMAPK14LCKKDRTEK
SCHEMBL4565880 0.82 MAPK14 (0.44) PDE4BMAPK14DGAT1RAF1BRAF
SCHEMBL5490933 0.81 PDE4B (0.41) PDE4BMAPK14CYP1A2LCKKDR
SCHEMBL4551650 0.81 PDE4B (0.40) PDE4BMAPK14LCKKDRTEK
SCHEMBL5484353 0.79 RAF1 (0.48) MAPK14RAF1BRAF
SCHEMBL4551611 0.78 CSF1R (0.43) PDE4BMAPK14LCKKDRTEK
SCHEMBL5487365 0.74 MAPK14 (0.46) PDE4BMAPK14RAF1BRAF
SCHEMBL4551942 0.74 FAAH (0.31)
SCHEMBL5490162 0.74 TNK2 (0.44) MAPK14LCKKDRTEKMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed